(1'S,2'S,3'S,4'R,5'R)-andicoquinone B
| Internal ID | 0c793225-eb00-46a9-a100-d821c83ad808 |
| Taxonomy | Benzenoids > Naphthacenes > Tetracenequinones |
| IUPAC Name | 1-[(2S,3S,4S,5R,6R)-4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-8-methyltetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H26O8/c1-12-8-9-15-14(10-12)11-17-20(22(15)29)23(30)19-16(21(17)28)6-5-7-18(19)35-26-25(33-4)27(3,32)24(31)13(2)34-26/h5-11,13,24-26,29,31-32H,1-4H3/t13-,24-,25-,26+,27+/m1/s1 |
| InChI Key | BMXQXHLVYFAAIW-JBYCLQRVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H26O8 |
| Molecular Weight | 478.50 g/mol |
| Exact Mass | 478.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 3.70 |
| 1-[(2S,3S,4S,5R,6R)-4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-8-methyltetracene-5,12-dione |
| 1-((2S,3S,4S,5R,6R)-4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-11-hydroxy-8-methyltetracene-5,12-dione |
| RefChem:68016 |
| CHEBI:228000 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.97% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.68% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.41% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.87% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.86% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.24% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.13% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.32% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.13% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.19% | 95.89% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.60% | 96.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 88.05% | 96.47% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.72% | 96.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.58% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.07% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.59% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.13% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.91% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.99% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.42% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.25% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.08% | 95.83% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.05% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.02% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.51% | 91.19% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.11% | 96.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.08% | 94.42% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.02% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 146682486 |
| LOTUS | LTS0136965 |
| wikiData | Q104938639 |